Kkkkvvaftyvlv

Structural Information

Molecular Formula

C₇₅H₁₂₇N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=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/C75H127N17O16/c1-41(2)38-55(68(100)91-61(45(9)10)75(107)108)86-72(104)59(43(5)6)89-69(101)57(40-49-30-32-50(94)33-31-49)87-74(106)62(47(12)93)92-70(102)56(39-48-24-14-13-15-25-48)85-63(95)46(11)81-71(103)58(42(3)4)90-73(105)60(44(7)8)88-67(99)54(29-19-23-37-79)84-66(98)53(28-18-22-36-78)83-65(97)52(27-17-21-35-77)82-64(96)51(80)26-16-20-34-76/h13-15,24-25,30-33,41-47,51-62,93-94H,16-23,26-29,34-40,76-80H2,1-12H3,(H,81,103)(H,82,96)(H,83,97)(H,84,98)(H,85,95)(H,86,104)(H,87,106)(H,88,99)(H,89,101)(H,90,105)(H,91,100)(H,92,102)(H,107,108)/t46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

CJZNOXHEXXMNMS-ZYDXJOIGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(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]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073130