Kkkkvvaakyvlv

Structural Information

Molecular Formula

C₇₁H₁₂₈N₁₈O₁₅

SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)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/C71H128N18O15/c1-39(2)37-53(66(98)89-58(43(9)10)71(103)104)85-69(101)56(41(5)6)87-67(99)54(38-46-28-30-47(90)31-29-46)84-64(96)49(24-14-19-33-73)80-60(92)45(12)78-59(91)44(11)79-68(100)55(40(3)4)88-70(102)57(42(7)8)86-65(97)52(27-17-22-36-76)83-63(95)51(26-16-21-35-75)82-62(94)50(25-15-20-34-74)81-61(93)48(77)23-13-18-32-72/h28-31,39-45,48-58,90H,13-27,32-38,72-77H2,1-12H3,(H,78,91)(H,79,100)(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,101)(H,86,97)(H,87,99)(H,88,102)(H,89,98)(H,103,104)/t44-,45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

DOBYGTPXRNZRQA-XUWGAAORSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-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]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16072984