(2S)-2-[[(1S)-1-[(6S)-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(1S)-1-[(6S)-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(1S)-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoylamino]-3-phenyl-propionic acid Formula: C31H43N7O6 MolecularWeight: 609.71642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H43N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,19,22-26,39H,13-18H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1