Kkkkvvaptyflv

Structural Information

Molecular Formula

C₇₅H₁₂₅N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C75H125N17O16/c1-42(2)39-55(69(101)90-61(45(7)8)75(107)108)85-67(99)56(40-48-23-12-11-13-24-48)86-68(100)57(41-49-30-32-50(94)33-31-49)87-73(105)62(47(10)93)91-70(102)58-29-22-38-92(58)74(106)46(9)81-71(103)59(43(3)4)89-72(104)60(44(5)6)88-66(98)54(28-17-21-37-79)84-65(97)53(27-16-20-36-78)83-64(96)52(26-15-19-35-77)82-63(95)51(80)25-14-18-34-76/h11-13,23-24,30-33,42-47,51-62,93-94H,14-22,25-29,34-41,76-80H2,1-10H3,(H,81,103)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H,86,100)(H,87,105)(H,88,98)(H,89,104)(H,90,101)(H,91,102)(H,107,108)/t46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

WDVQMERXLGSQNZ-ZYDXJOIGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073023