Kkkkvvaapyvlv

Structural Information

Molecular Formula

C₇₀H₁₂₃N₁₇O₁₅

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)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(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

InChI

InChI=1S/C70H123N17O15/c1-38(2)36-51(63(94)86-57(42(9)10)70(101)102)82-67(98)55(40(5)6)84-64(95)52(37-45-27-29-46(88)30-28-45)81-65(96)53-26-21-35-87(53)69(100)44(12)77-58(89)43(11)76-66(97)54(39(3)4)85-68(99)56(41(7)8)83-62(93)50(25-16-20-34-74)80-61(92)49(24-15-19-33-73)79-60(91)48(23-14-18-32-72)78-59(90)47(75)22-13-17-31-71/h27-30,38-44,47-57,88H,13-26,31-37,71-75H2,1-12H3,(H,76,97)(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,96)(H,82,98)(H,83,93)(H,84,95)(H,85,99)(H,86,94)(H,101,102)/t43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

LCWOPKPHVYHOKA-IZLBWCHOSA-N

Compound name

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

Related CIDs

• CID 16073008