(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2R)-3-[[4-[[[3,5-bis(chloranyl)phenyl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2R)-3-[[4-[[[3,5-bis(chloranyl)phenyl]carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; (2R)-3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dichlorophenyl)carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2R)-3-[[[4-[[4-(1-cyclohexenyl)-N-[(3,5-dichloroanilino)-oxomethyl]anilino]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2R)-3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dichlorophenyl)carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; (2R)-3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dichlorophenyl)carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C36H43Cl2N7O7 MolecularWeight: 756.67532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C(=O)NC4=CC(=CC(=C4)Cl)Cl.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC[C@H](C(=O)O)O)C(=O)NC4=CC(=CC(=C4)Cl)Cl.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C30H29Cl2N3O5.C6H14N4O2/c31-23-14-24(32)16-25(15-23)34-30(40)35(26-12-10-21(11-13-26)20-4-2-1-3-5-20)18-19-6-8-22(9-7-19)28(37)33-17-27(36)29(38)39;7-4(5(11)12)2-1-3-10-6(8)9/h4,6-16,27,36H,1-3,5,17-18H2,(H,33,37)(H,34,40)(H,38,39);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t27-;4-/m10/s1