N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclopentanecarboxamide; cobalt(2+); cyclopentane; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclopentanecarboxamide; cobalt(2+); cyclopentane; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: cobaltous; N-[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]cyclopentanecarboxamide; cyclopentane; 2,2,2-trifluoroacetic acid CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentanecarboxamide; cobalt(2+); cyclopentane; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentanecarboxamide; cobalt(2+); cyclopentane; 2,2,2-trifluoroacetic acid Traditional Name: cobaltous; N-[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]cyclopentanecarboxamide; cyclopentane; 2,2,2-trifluoroacetic acid Formula: C34H45CoF3N10O6+2 MolecularWeight: 805.71291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.C(=O)(C(F)(F)F)O.[Co+2]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.C(=O)(C(F)(F)F)O.[Co+2]

InChI

InChI=1S/C27H39N10O4.C5H5.C2HF3O2.Co/c28-22(38)21(16-17-8-2-1-3-9-17)37-25(41)20(13-7-15-34-27(31)32)36-24(40)19(12-6-14-33-26(29)30)35-23(39)18-10-4-5-11-18;1-2-4-5-3-1;3-2(4,5)1(6)7;/h1-5,8-11,19-21H,6-7,12-16H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H4,29,30,33)(H4,31,32,34);1-5H;(H,6,7);/q;;;+2/t19-,20-,21-;;;/m0.../s1