Kkkkvvaltyvlv

Structural Information

Molecular Formula

C₇₂H₁₂₉N₁₇O₁₆

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](CC(C)C)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)O

InChI

InChI=1S/C72H129N17O16/c1-38(2)35-52(66(98)89-59(45(14)90)71(103)84-54(37-46-27-29-47(91)30-28-46)67(99)86-56(41(7)8)69(101)83-53(36-39(3)4)65(97)88-58(43(11)12)72(104)105)82-60(92)44(13)78-68(100)55(40(5)6)87-70(102)57(42(9)10)85-64(96)51(26-18-22-34-76)81-63(95)50(25-17-21-33-75)80-62(94)49(24-16-20-32-74)79-61(93)48(77)23-15-19-31-73/h27-30,38-45,48-59,90-91H,15-26,31-37,73-77H2,1-14H3,(H,78,100)(H,79,93)(H,80,94)(H,81,95)(H,82,92)(H,83,101)(H,84,103)(H,85,96)(H,86,99)(H,87,102)(H,88,97)(H,89,98)(H,104,105)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

InChIKey

AGLJOEJLYYJWIR-RVXHXZROSA-N

Compound name

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

Related CIDs

• CID 16073123