5-[[1-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(pyrrolidin-2-ylcarbonylamino)pentanoic acid

Systemtic Name: 5-[[1-[[6-azanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(pyrrolidin-2-ylcarbonylamino)pentanoic acid Openeye Name: 5-[[1-[[5-amino-1-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-4-(pyrrolidine-2-carbonylamino)pentanoic acid CAS Name: 5-[[1-[[6-amino-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-[[oxo(2-pyrrolidinyl)methyl]amino]pentanoic acid IUPAC Name: 5-[[1-[[6-amino-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-(pyrrolidine-2-carbonylamino)pentanoic acid Traditional Name: 5-[[1-[[5-amino-1-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-4-(prolylamino)valeric acid Formula: C30H46N6O8 MolecularWeight: 618.72164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2

InChI

InChI=1S/C30H46N6O8/c1-18(2)25(36-28(41)22(13-14-24(37)38)33-26(39)20-12-8-16-32-20)29(42)34-21(11-6-7-15-31)27(40)35-23(30(43)44)17-19-9-4-3-5-10-19/h3-5,9-10,18,20-23,25,32H,6-8,11-17,31H2,1-2H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,38)(H,43,44)