Other peptides

Cas#: 761023-27-2       

IUPAC Name: (3S,6S,9R,12S,15S,23S)-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-15-[(2S)-2-acetamidohexanamido]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide

SMILES: CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C

InChIKey: JDKLPDJLXHXHNV-MFVUMRCOSA-N

InChI: InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

Cas#: 189691-06-3        Compound CID:  9941379

Formula:  C₅₀H₆₈N₁₄O₁₀        Molecular Weight: 1025.19

IUPAC Name: (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid

SMILES: CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C

InChIKey: FFHBJDQSGDNCIV-MFVUMRCOSA-N

InChI: InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

InChIKey: YZEJNKFJIYNYMP-MGAVOHMASA-N

InChI: InChI=1S/C158H264N48O51S3/c1-17-82(12)123(201-132(233)90(37-26-47-169-157(164)165)187-138(239)100(61-121(222)223)193-137(238)97(58-81(10)11)190-129(230)88(35-22-24-45-160)185-134(235)95(56-79(6)7)180-116(216)64-173-127(228)98(59-86-32-19-18-20-33-86)192-144(245)108(75-258)182-118(218)66-171-125(226)87(34-21-23-44-159)184-141(242)105(72-210)197-135(236)94(55-78(4)5)178-114(214)63-161)149(250)175-68-117(217)181-103(70-208)140(241)188-91(43-53-260-16)131(232)196-102(69-207)128(229)174-65-115(215)179-93(54-77(2)3)126(227)172-67-119(219)183-109(76-259)154(255)206-52-31-42-113(206)148(249)198-106(73-211)142(243)191-96(57-80(8)9)136(237)186-89(36-25-46-168-156(162)163)130(231)195-101(62-122(224)225)153(254)205-51-30-40-111(205)145(246)189-92(38-27-48-170-158(166)167)152(253)204-50-29-41-112(204)146(247)194-99(60-120(220)221)133(234)176-83(13)151(252)203-49-28-39-110(203)147(248)199-107(74-212)143(244)202-124(85(15)213)150(251)200-104(71-209)139(240)177-84(14)155(256)257/h18-20,32-33,77-85,87-113,123-124,207-213,258-259H,17,21-31,34-76,159-161H2,1-16H3,(H,171,226)(H,172,227)(H,173,228)(H,174,229)(H,175,250)(H,176,234)(H,177,240)(H,178,214)(H,179,215)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,242)(H,185,235)(H,186,237)(H,187,239)(H,188,241)(H,189,246)(H,190,230)(H,191,243)(H,192,245)(H,193,238)(H,194,247)(H,195,231)(H,196,232)(H,197,236)(H,198,249)(H,199,248)(H,200,251)(H,201,233)(H,202,244)(H,220,221)(H,222,223)(H,224,225)(H,256,257)(H4,162,163,168)(H4,164,165,169)(H4,166,167,170)/t82-,83-,84-,85+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-/m0/s1