Kkkkpvaatyvlv

Structural Information

Molecular Formula

C₆₉H₁₂₁N₁₇O₁₆

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]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C69H121N17O16/c1-37(2)35-50(62(94)84-55(40(7)8)69(101)102)80-66(98)54(39(5)6)82-63(95)51(36-44-26-28-45(88)29-27-44)81-67(99)56(43(11)87)85-58(90)42(10)75-57(89)41(9)76-65(97)53(38(3)4)83-64(96)52-25-20-34-86(52)68(100)49(24-15-19-33-73)79-61(93)48(23-14-18-32-72)78-60(92)47(22-13-17-31-71)77-59(91)46(74)21-12-16-30-70/h26-29,37-43,46-56,87-88H,12-25,30-36,70-74H2,1-11H3,(H,75,89)(H,76,97)(H,77,91)(H,78,92)(H,79,93)(H,80,98)(H,81,99)(H,82,95)(H,83,96)(H,84,94)(H,85,90)(H,101,102)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1

InChIKey

ZDISBAOUGCLGJR-GGRYGFPKSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]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 16073006