Kkkkvvaatyvav

Structural Information

Molecular Formula

C₆₆H₁₁₇N₁₇O₁₆

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](C)C(=O)N[C@@H](C(C)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/C66H117N17O16/c1-34(2)49(62(94)74-40(11)55(87)82-52(37(7)8)66(98)99)80-61(93)48(33-42-25-27-43(85)28-26-42)78-65(97)53(41(12)84)83-56(88)39(10)72-54(86)38(9)73-63(95)50(35(3)4)81-64(96)51(36(5)6)79-60(92)47(24-16-20-32-70)77-59(91)46(23-15-19-31-69)76-58(90)45(22-14-18-30-68)75-57(89)44(71)21-13-17-29-67/h25-28,34-41,44-53,84-85H,13-24,29-33,67-71H2,1-12H3,(H,72,86)(H,73,95)(H,74,94)(H,75,89)(H,76,90)(H,77,91)(H,78,97)(H,79,92)(H,80,93)(H,81,96)(H,82,87)(H,83,88)(H,98,99)/t38-,39-,40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

JRWCHZHXFXJAHY-OQFJDRNPSA-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]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073118