Kkkkvvaatyvla

Structural Information

Molecular Formula

C₆₇H₁₁₉N₁₇O₁₆

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(=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/C67H119N17O16/c1-35(2)33-49(61(93)75-41(11)67(99)100)79-64(96)52(37(5)6)82-62(94)50(34-43-25-27-44(86)28-26-43)80-66(98)54(42(12)85)84-56(88)40(10)73-55(87)39(9)74-63(95)51(36(3)4)83-65(97)53(38(7)8)81-60(92)48(24-16-20-32-71)78-59(91)47(23-15-19-31-70)77-58(90)46(22-14-18-30-69)76-57(89)45(72)21-13-17-29-68/h25-28,35-42,45-54,85-86H,13-24,29-34,68-72H2,1-12H3,(H,73,87)(H,74,95)(H,75,93)(H,76,89)(H,77,90)(H,78,91)(H,79,96)(H,80,98)(H,81,92)(H,82,94)(H,83,97)(H,84,88)(H,99,100)/t39-,40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

CVJKYRCLFXOPOK-OXNANYSUSA-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]-4-methylpentanoyl]amino]propanoic acid

Related CIDs

• CID 16073119