(2S)-N-[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C27H46N8O4 MolecularWeight: 546.70534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N8O4/c1-16(2)13-21(34-24(37)19(28)15-18-9-6-5-7-10-18)26(39)35-22(14-17(3)4)25(38)33-20(23(29)36)11-8-12-32-27(30)31/h5-7,9-10,16-17,19-22H,8,11-15,28H2,1-4H3,(H2,29,36)(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t19-,20-,21-,22-/m0/s1