Chembl361380

Structural Information

Molecular Formula

C₄₄H₈₂N₁₂O₁₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C44H82N12O11/c1-13-25(11)34(55-40(63)32(23(7)8)53-38(61)29(18-21(3)4)51-36(59)27(45)20-57)41(64)50-28(16-15-17-48-44(46)47)37(60)49-19-30(58)52-31(22(5)6)39(62)56-35(26(12)14-2)42(65)54-33(24(9)10)43(66)67/h21-29,31-35,57H,13-20,45H2,1-12H3,(H,49,60)(H,50,64)(H,51,59)(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,31-,32-,33-,34-,35-/m0/s1

InChIKey

MPTVPHGPZKXMKP-KYRWDIRYSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 5278816