2-[[5-(aminocarbonylamino)-1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(aminocarbonylamino)-1-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[[1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-4-ureido-butyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[[5-(carbamoylamino)-1-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(carbamoylamino)-1-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[[1-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-4-ureido-butyl]carbamoylamino]-3-phenyl-propionic acid Formula: C30H42N6O7 MolecularWeight: 598.69048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(CCCNC(=O)N)NC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(CCCNC(=O)N)NC(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C30H42N6O7/c1-19(2)25(27(39)33-22(18-37)16-20-10-5-3-6-11-20)36-26(38)23(14-9-15-32-29(31)42)34-30(43)35-24(28(40)41)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-25,37H,9,14-18H2,1-2H3,(H,33,39)(H,36,38)(H,40,41)(H3,31,32,42)(H2,34,35,43)