(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-(carboxymethylcarbamoyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-(carboxymethylcarbamoyl)-4-guanidino-butyl]amino]-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C30H45N9O11 MolecularWeight: 707.732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C30H45N9O11/c1-16(36-26(47)18(31)9-11-22(40)41)25(46)37-20(10-12-23(42)43)28(49)39-21(14-17-6-3-2-4-7-17)29(50)38-19(8-5-13-34-30(32)33)27(48)35-15-24(44)45/h2-4,6-7,16,18-21H,5,8-15,31H2,1H3,(H,35,48)(H,36,47)(H,37,46)(H,38,50)(H,39,49)(H,40,41)(H,42,43)(H,44,45)(H4,32,33,34)/t16-,18-,19-,20-,21-/m0/s1