Kkkktvaatyvlv

Structural Information

Molecular Formula

C₆₈H₁₂₁N₁₇O₁₇

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](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)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/C68H121N17O17/c1-35(2)33-49(62(95)83-53(38(7)8)68(101)102)79-65(98)52(37(5)6)81-63(96)50(34-43-25-27-44(88)28-26-43)80-66(99)54(41(11)86)84-57(90)40(10)74-56(89)39(9)75-64(97)51(36(3)4)82-67(100)55(42(12)87)85-61(94)48(24-16-20-32-72)78-60(93)47(23-15-19-31-71)77-59(92)46(22-14-18-30-70)76-58(91)45(73)21-13-17-29-69/h25-28,35-42,45-55,86-88H,13-24,29-34,69-73H2,1-12H3,(H,74,89)(H,75,97)(H,76,91)(H,77,92)(H,78,93)(H,79,98)(H,80,99)(H,81,96)(H,82,100)(H,83,95)(H,84,90)(H,85,94)(H,101,102)/t39-,40-,41+,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1

InChIKey

MHDBVEIAQBCTEQ-XHNUUETMSA-N

Compound name

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

Related CIDs

• CID 16072988