(h-4-n3-phe)-tyr-ala-gly-ala-val-val-asn-asp-ile

Structural Information

Molecular Formula

C₄₇H₆₇N₁₃O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C47H67N13O14/c1-9-24(6)39(47(73)74)58-44(70)33(20-36(64)65)54-43(69)32(19-34(48)62)55-45(71)37(22(2)3)57-46(72)38(23(4)5)56-41(67)26(8)51-35(63)21-50-40(66)25(7)52-42(68)31(18-27-10-16-30(61)17-11-27)53-28-12-14-29(15-13-28)59-60-49/h10-17,22-26,31-33,37-39,53,61H,9,18-21H2,1-8H3,(H2,48,62)(H,50,66)(H,51,63)(H,52,68)(H,54,69)(H,55,71)(H,56,67)(H,57,72)(H,58,70)(H,64,65)(H,73,74)/t24-,25-,26-,31-,32-,33-,37-,38-,39-/m0/s1

InChIKey

RSGVTUYMFMGNAA-REOWVDCKSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-(4-azidoanilino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 5274938