2-[4-[(2S)-3-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-2-(carboxyamino)-3-oxidanylidene-propyl]phenyl]propanedioic acid

Systemtic Name: 2-[4-[(2S)-3-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-2-(carboxyamino)-3-oxidanylidene-propyl]phenyl]propanedioic acid Openeye Name: 2-[4-[(2S)-3-[[1-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]cyclohexyl]amino]-2-(carboxyamino)-3-oxo-propyl]phenyl]propanedioic acid CAS Name: 2-[4-[(2S)-3-[[1-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]cyclohexyl]amino]-2-(carboxyamino)-3-oxopropyl]phenyl]propanedioic acid IUPAC Name: 2-[4-[(2S)-3-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-2-(carboxyamino)-3-oxopropyl]phenyl]propanedioic acid Traditional Name: 2-[4-[(2S)-3-[[1-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]cyclohexyl]amino]-2-(carboxyamino)-3-keto-propyl]phenyl]malonic acid Formula: C37H43N5O10 MolecularWeight: 717.76482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)C(C(=O)O)C(=O)O)NC(=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)C(C(=O)O)C(=O)O)NC(=O)O

InChI

InChI=1S/C37H43N5O10/c38-29(43)21-28(31(44)39-19-7-11-24-10-6-9-23-8-2-3-12-26(23)24)40-35(50)37(17-4-1-5-18-37)42-32(45)27(41-36(51)52)20-22-13-15-25(16-14-22)30(33(46)47)34(48)49/h2-3,6,8-10,12-16,27-28,30,41H,1,4-5,7,11,17-21H2,(H2,38,43)(H,39,44)(H,40,50)(H,42,45)(H,46,47)(H,48,49)(H,51,52)/t27-,28-/m0/s1