Ncap-mt

Structural Information

Molecular Formula

C₁₂₀H₁₈₇N₂₉O₂₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)N

InChI

InChI=1S/C120H187N29O28S/c1-19-63(8)95(116(173)133-67(12)99(156)130-70(15)103(160)142-89(56-73-40-42-76(150)43-41-73)110(167)131-71(16)100(157)135-81(36-26-28-49-121)106(163)143-88(55-62(6)7)113(170)147-96(64(9)20-2)117(174)134-68(13)98(155)129-69(14)102(159)141-87(54-61(4)5)114(171)148-97(119(176)177)65(10)21-3)146-109(166)85(45-47-94(153)154)138-105(162)83(38-30-51-126-120(124)125)136-101(158)72(17)132-111(168)90(57-74-59-127-79-34-24-22-32-77(74)79)144-108(165)86(48-53-178-18)139-112(169)91(58-75-60-128-80-35-25-23-33-78(75)80)145-107(164)84(44-46-93(151)152)137-104(161)82(37-27-29-50-122)140-115(172)92-39-31-52-149(92)118(175)66(11)123/h22-25,32-35,40-43,59-72,81-92,95-97,127-128,150H,19-21,26-31,36-39,44-58,121-123H2,1-18H3,(H,129,155)(H,130,156)(H,131,167)(H,132,168)(H,133,173)(H,134,174)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,169)(H,140,172)(H,141,159)(H,142,160)(H,143,163)(H,144,165)(H,145,164)(H,146,166)(H,147,170)(H,148,171)(H,151,152)(H,153,154)(H,176,177)(H4,124,125,126)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-,97-/m0/s1

InChIKey

CMYUWRSDPIMZJH-WIEHDURQSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131469