Fmoc-ile-arg-lys-ile-leu-(s)phe-leu-asp-gly-ile-oh

Structural Information

Molecular Formula

C₇₁H₁₀₆N₁₄O₁₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)SC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC2=CC3=C(C=C2)C4=CC=CC=C4C3

InChI

InChI=1S/C71H106N14O15S/c1-11-41(8)57(83-62(91)50(26-19-20-30-72)77-61(90)51(27-21-31-75-70(73)74)78-66(95)58(42(9)12-2)84-71(99)100-38-44-28-29-49-46(34-44)35-45-22-17-18-25-48(45)49)65(94)80-53(33-40(6)7)64(93)85-68(101-47-23-15-14-16-24-47)67(96)81-52(32-39(4)5)63(92)79-54(36-56(87)88)60(89)76-37-55(86)82-59(69(97)98)43(10)13-3/h14-18,22-25,28-29,34,39-43,50-54,57-59,68H,11-13,19-21,26-27,30-33,35-38,72H2,1-10H3,(H,76,89)(H,77,90)(H,78,95)(H,79,92)(H,80,94)(H,81,96)(H,82,86)(H,83,91)(H,84,99)(H,85,93)(H,87,88)(H,97,98)(H4,73,74,75)/t41-,42-,43-,50-,51-,52-,53-,54-,57-,58-,59-,68-/m0/s1

InChIKey

WYLQTINNSXITRM-RYZJOISYSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-(9H-fluoren-2-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-phenylsulfanylacetyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 5481019