2-[4-[2-[[(2R)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[[(2R)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]ethyl]piperazino]acetic acid Formula: C37H56N8O6 MolecularWeight: 708.89054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN)C(=O)NCCN1CCN(CC1)CC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CCCN)C(=O)NCCN1CCN(CC1)CC(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C37H56N8O6/c1-26(2)22-31(36(50)41-30(14-9-15-38)35(49)40-16-17-44-18-20-45(21-19-44)25-33(46)47)43-37(51)32(24-28-12-7-4-8-13-28)42-34(48)29(39)23-27-10-5-3-6-11-27/h3-8,10-13,26,29-32H,9,14-25,38-39H2,1-2H3,(H,40,49)(H,41,50)(H,42,48)(H,43,51)(H,46,47)/t29-,30-,31-,32-/m1/s1