Kkkkvvaatyvlv

Structural Information

Molecular Formula

C₆₉H₁₂₃N₁₇O₁₆

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(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/C69H123N17O16/c1-36(2)34-50(63(95)85-55(40(9)10)69(101)102)80-66(98)53(38(5)6)83-64(96)51(35-44-26-28-45(88)29-27-44)81-68(100)56(43(13)87)86-58(90)42(12)75-57(89)41(11)76-65(97)52(37(3)4)84-67(99)54(39(7)8)82-62(94)49(25-17-21-33-73)79-61(93)48(24-16-20-32-72)78-60(92)47(23-15-19-31-71)77-59(91)46(74)22-14-18-30-70/h26-29,36-43,46-56,87-88H,14-25,30-35,70-74H2,1-13H3,(H,75,89)(H,76,97)(H,77,91)(H,78,92)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,99)(H,85,95)(H,86,90)(H,101,102)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1

InChIKey

CXGOMFACHHRFAU-GGRYGFPKSA-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]-3-methylbutanoic acid

Related CIDs

• CID 16073005