(Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-hydroxy-but-1-ene-1-diazonium CAS Name: (Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-2-hydroxy-1-butene-1-diazonium IUPAC Name: (Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxybut-1-ene-1-diazonium Traditional Name: (Z,3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-hydroxy-but-1-ene-1-diazonium Formula: C28H44N9O7+ MolecularWeight: 618.70506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=C[N+]#N)O)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C(=C/[N+]#N)/O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C28H43N9O7/c1-16(2)13-21(25(41)34-17(3)22(39)14-33-31)35-26(42)23(18(4)38)37-24(40)20(11-8-12-32-27(29)30)36-28(43)44-15-19-9-6-5-7-10-19/h5-7,9-10,14,16-18,20-21,23,38H,8,11-13,15H2,1-4H3,(H8-,29,30,32,34,35,36,37,39,40,41,42,43)/p+1/b22-14-/t17-,18+,20-,21-,23-/m0/s1