4-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]butanoic acid
Molecular Formula:
C47H76N10O15
InChI: InChI=1/C47H76N10O15/c1-23(2)18-31(51-36(61)22-50-40(64)34(21-28-12-10-9-11-13-28)56-46(70)38(49)26(7)58)43(67)52-29(14-16-35(48)60)41(65)54-32(19-24(3)4)44(68)53-30(15-17-37(62)63)42(66)55-33(20-25(5)6)45(69)57-39(27(8)59)47(71)72/h9-13,23-27,29-34,38-39,58-59H,14-22,49H2,1-8H3,(H2,48,60)(H,50,64)(H,51,61)(H,52,67)(H,53,68)(H,54,65)(H,55,66)(H,56,70)(H,57,69)(H,62,63)(H,71,72)/f/h50-57,62,71H,48H2
InChIKey: InChIKey=CKBCHJFCYGZUBW-FWVOATCXCN
SMILES: CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N
Names:
4-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]butanoic acid
Registries:
PubChem CID 4115460
PubChem ID 6042834
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|