Kkkkvvkatyvlv

Structural Information

Molecular Formula

C₇₂H₁₃₀N₁₈O₁₆

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](C)NC(=O)[C@H](CCCCN)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/C72H130N18O16/c1-39(2)37-53(66(99)89-58(43(9)10)72(105)106)84-69(102)55(40(3)4)87-67(100)54(38-46-28-30-47(92)31-29-46)85-71(104)59(45(12)91)90-60(93)44(11)79-62(95)49(24-14-19-33-74)83-68(101)56(41(5)6)88-70(103)57(42(7)8)86-65(98)52(27-17-22-36-77)82-64(97)51(26-16-21-35-76)81-63(96)50(25-15-20-34-75)80-61(94)48(78)23-13-18-32-73/h28-31,39-45,48-59,91-92H,13-27,32-38,73-78H2,1-12H3,(H,79,95)(H,80,94)(H,81,96)(H,82,97)(H,83,101)(H,84,102)(H,85,104)(H,86,98)(H,87,100)(H,88,103)(H,89,99)(H,90,93)(H,105,106)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

InChIKey

AGJCJBNWRZEWPF-RVXHXZROSA-N

Compound name

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

Related CIDs

• CID 16072982