Kkkkvvaalyvlv

Structural Information

Molecular Formula

C₇₁H₁₂₇N₁₇O₁₅

SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)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(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/C71H127N17O15/c1-38(2)35-52(65(96)83-54(37-46-27-29-47(89)30-28-46)67(98)86-56(41(7)8)69(100)84-53(36-39(3)4)66(97)88-58(43(11)12)71(102)103)82-60(91)45(14)77-59(90)44(13)78-68(99)55(40(5)6)87-70(101)57(42(9)10)85-64(95)51(26-18-22-34-75)81-63(94)50(25-17-21-33-74)80-62(93)49(24-16-20-32-73)79-61(92)48(76)23-15-19-31-72/h27-30,38-45,48-58,89H,15-26,31-37,72-76H2,1-14H3,(H,77,90)(H,78,99)(H,79,92)(H,80,93)(H,81,94)(H,82,91)(H,83,96)(H,84,100)(H,85,95)(H,86,98)(H,87,101)(H,88,97)(H,102,103)/t44-,45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

DRIJVYTYYKQTGJ-XUWGAAORSA-N

Compound name

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

Related CIDs

• CID 16073124