Other peptides

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O

InChIKey: AKMMHLDUORFPQZ-BKMDBHAQSA-N

InChI: InChI=1S/C119H183N35O28S/c1-60(2)43-83(106(170)146-84(44-61(3)4)107(171)143-82(37-42-183-15)102(166)132-55-94(161)141-89(117(181)182)45-62(5)6)140-93(160)54-131-98(162)65(11)136-99(163)66(12)137-103(167)79(26-20-39-128-118(122)123)139-92(159)56-133-113(177)95(63(7)8)152-115(179)97(68(14)156)153-111(175)88(50-73-53-127-59-135-73)149-109(173)86(47-70-31-35-75(158)36-32-70)147-105(169)81(27-21-40-129-119(124)125)144-112(176)91-28-22-41-154(91)116(180)90(57-155)150-100(164)67(13)138-114(178)96(64(9)10)151-110(174)87(49-72-52-126-58-134-72)148-104(168)80(25-18-19-38-120)142-108(172)85(46-69-29-33-74(157)34-30-69)145-101(165)77(121)48-71-51-130-78-24-17-16-23-76(71)78/h16-17,23-24,29-36,51-53,58-68,77,79-91,95-97,130,155-158H,18-22,25-28,37-50,54-57,120-121H2,1-15H3,(H,126,134)(H,127,135)(H,131,162)(H,132,166)(H,133,177)(H,136,163)(H,137,167)(H,138,178)(H,139,159)(H,140,160)(H,141,161)(H,142,172)(H,143,171)(H,144,176)(H,145,165)(H,146,170)(H,147,169)(H,148,168)(H,149,173)(H,150,164)(H,151,174)(H,152,179)(H,153,175)(H,181,182)(H4,122,123,128)(H4,124,125,129)/t65-,66-,67-,68+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1

IUPAC Name: (4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-amino-22-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13,19-bis[3-(diaminomethylideneamino)propyl]-25-(1-hydroxyethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(phenylmethyl)-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid

SMILES: NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C

InChIKey: JOEHPBQVSCDCHE-BKGQOYFSSA-N

InChI: InChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1