Other peptides

Cas#: 761023-27-2       

IUPAC Name: ethyl (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-chloroacetyl)-methylamino]-3-phenylpropanoyl]piperidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoate

SMILES: CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N

InChIKey: SUAZSPTYLUTEDZ-ORYMTKCHSA-N

InChI: InChI=1S/C37H48ClN7O7/c1-3-52-36(50)28(16-11-18-40-37(39)51)42-33(47)29(21-25-23-41-27-15-8-7-14-26(25)27)43-34(48)30-17-9-10-19-45(30)35(49)31(44(2)32(46)22-38)20-24-12-5-4-6-13-24/h4-8,12-15,23,28-31,41H,3,9-11,16-22H2,1-2H3,(H,42,47)(H,43,48)(H3,39,40,51)/t28-,29-,30-,31-/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