Kkkkvvaptyvlv

Structural Information

Molecular Formula

C₇₁H₁₂₅N₁₇O₁₆

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]2CCCN2C(=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/C71H125N17O16/c1-38(2)36-51(63(95)86-57(42(9)10)71(103)104)81-67(99)55(40(5)6)84-64(96)52(37-45-27-29-46(90)30-28-45)82-69(101)58(44(12)89)87-65(97)53-26-21-35-88(53)70(102)43(11)77-66(98)54(39(3)4)85-68(100)56(41(7)8)83-62(94)50(25-16-20-34-75)80-61(93)49(24-15-19-33-74)79-60(92)48(23-14-18-32-73)78-59(91)47(76)22-13-17-31-72/h27-30,38-44,47-58,89-90H,13-26,31-37,72-76H2,1-12H3,(H,77,98)(H,78,91)(H,79,92)(H,80,93)(H,81,99)(H,82,101)(H,83,94)(H,84,96)(H,85,100)(H,86,95)(H,87,97)(H,103,104)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

RIYTVABQXYOMFW-MRDKEPLMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(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]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073009