(2S)-2-[[(1S)-1-[[2-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-oxolan-2-ylidene]methyl]carbamoyl]propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Molecular Formula:
C38H48N8O12S
InChI: InChI=1/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19+/t20u,26-,27-,28-,29?,31?,35?/m0/s1/f/h40-44,54H
InChIKey: InChIKey=LLINEOOFHRQODR-DOLGZAJRDN
SMILES: CC(C(C(=O)NC=C1CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)N
Names:
(2S)-2-[[(1S)-1-[[2-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-oxolan-2-ylidene]methyl]carbamoyl]propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Registries:
PubChem CID 10010738
PubChem ID 14990520
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