Cmv-1-39

Structural Information

Molecular Formula

C₅₇H₁₀₅N₂₃O₁₇

SMILES

CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CN

InChI

InChI=1S/C57H105N23O17/c1-11-31(71-50(92)37(24-81)77-43(85)28(8)69-49(91)36(22-38(59)83)76-51(93)41(27(6)7)79-52(94)40(26(4)5)78-39(84)23-58)45(87)72-32(15-12-18-66-55(60)61)47(89)75-35(21-25(2)3)48(90)70-29(9)44(86)80-42(30(10)82)53(95)73-33(16-13-19-67-56(62)63)46(88)74-34(54(96)97)17-14-20-68-57(64)65/h25-37,40-42,81-82H,11-24,58H2,1-10H3,(H2,59,83)(H,69,91)(H,70,90)(H,71,92)(H,72,87)(H,73,95)(H,74,88)(H,75,89)(H,76,93)(H,77,85)(H,78,84)(H,79,94)(H,80,86)(H,96,97)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,40-,41-,42-/m0/s1

InChIKey

DJTDFFHOVUZCQR-DENNNZKFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 5482040