Kkkkvvaatyvlva

Structural Information

Molecular Formula

C₇₂H₁₂₈N₁₈O₁₇

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)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)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/C72H128N18O17/c1-37(2)35-52(65(99)87-54(38(3)4)68(102)80-44(13)72(106)107)84-69(103)56(40(7)8)88-66(100)53(36-46-27-29-47(92)30-28-46)85-71(105)58(45(14)91)90-60(94)43(12)78-59(93)42(11)79-67(101)55(39(5)6)89-70(104)57(41(9)10)86-64(98)51(26-18-22-34-76)83-63(97)50(25-17-21-33-75)82-62(96)49(24-16-20-32-74)81-61(95)48(77)23-15-19-31-73/h27-30,37-45,48-58,91-92H,15-26,31-36,73-77H2,1-14H3,(H,78,93)(H,79,101)(H,80,102)(H,81,95)(H,82,96)(H,83,97)(H,84,103)(H,85,105)(H,86,98)(H,87,99)(H,88,100)(H,89,104)(H,90,94)(H,106,107)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

OINUTCXOLQLWRS-NARPBVMPSA-N

Compound name

(2S)-2-[[(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]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid

Related CIDs

• CID 16072940