(2S)-2-azanyl-N-[(2S)-2-[[(3S)-6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]propanoyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-2-[[(3S)-6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]propanoyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(2S)-2-[[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]propanoyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxopropyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(2S)-2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]propanoyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(2S)-2-[[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]propanoyl]-3-phenyl-propionamide Formula: C19H29ClN6O3 MolecularWeight: 424.92496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN6O3/c1-12(25-15(16(27)11-20)8-5-9-24-19(22)23)17(28)26-18(29)14(21)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11,21H2,1H3,(H4,22,23,24)(H,26,28,29)/t12-,14-,15-/m0/s1