Kkkkvlaptyvlv

Structural Information

Molecular Formula

C₇₂H₁₂₇N₁₇O₁₆

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](CC(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/C72H127N17O16/c1-39(2)36-52(82-68(100)56(41(5)6)85-63(95)51(25-16-20-34-76)81-62(94)50(24-15-19-33-75)80-61(93)49(23-14-18-32-74)79-60(92)48(77)22-13-17-31-73)64(96)78-44(11)71(103)89-35-21-26-55(89)67(99)88-59(45(12)90)70(102)84-54(38-46-27-29-47(91)30-28-46)66(98)86-57(42(7)8)69(101)83-53(37-40(3)4)65(97)87-58(43(9)10)72(104)105/h27-30,39-45,48-59,90-91H,13-26,31-38,73-77H2,1-12H3,(H,78,96)(H,79,92)(H,80,93)(H,81,94)(H,82,100)(H,83,101)(H,84,102)(H,85,95)(H,86,98)(H,87,97)(H,88,99)(H,104,105)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

InChIKey

YPLUHBBDYPHUMO-RVXHXZROSA-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]-4-methylpentanoyl]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 16073143