Mtweewdkkieeytkkieel

Structural Information

Molecular Formula

C₁₂₀H₁₈₂N₂₆O₃₈S

SMILES

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

InChI

InChI=1S/C120H182N26O38S/c1-10-62(5)97(143-110(173)77(30-18-22-51-123)128-102(165)75(28-16-20-49-121)130-114(177)88(58-96(162)163)140-113(176)86(56-67-59-126-73-26-14-12-24-70(67)73)139-108(171)81(38-44-92(154)155)131-104(167)79(36-42-90(150)151)134-112(175)87(57-68-60-127-74-27-15-13-25-71(68)74)141-119(182)99(64(7)147)145-101(164)72(125)48-53-185-9)116(179)136-83(40-46-94(158)159)105(168)132-80(37-43-91(152)153)107(170)138-85(55-66-32-34-69(149)35-33-66)115(178)146-100(65(8)148)118(181)135-76(29-17-21-50-122)103(166)129-78(31-19-23-52-124)111(174)144-98(63(6)11-2)117(180)137-84(41-47-95(160)161)106(169)133-82(39-45-93(156)157)109(172)142-89(120(183)184)54-61(3)4/h12-15,24-27,32-35,59-65,72,75-89,97-100,126-127,147-149H,10-11,16-23,28-31,36-58,121-125H2,1-9H3,(H,128,165)(H,129,166)(H,130,177)(H,131,167)(H,132,168)(H,133,169)(H,134,175)(H,135,181)(H,136,179)(H,137,180)(H,138,170)(H,139,171)(H,140,176)(H,141,182)(H,142,172)(H,143,173)(H,144,174)(H,145,164)(H,146,178)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,183,184)/t62-,63-,64+,65+,72-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-,98-,99-,100-/m0/s1

InChIKey

UWMOFYVBECUJTC-VVIHEHTISA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71597968