3-[2-[[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[2-[[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[[1-(2-amino-3-hydroxy-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)prolyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C29H43N9O10 MolecularWeight: 677.70602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CO)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H43N9O10/c30-17(15-39)27(46)38-11-5-9-21(38)26(45)36-18(8-4-10-33-29(31)32)24(43)34-14-22(40)35-19(13-23(41)42)25(44)37-20(28(47)48)12-16-6-2-1-3-7-16/h1-3,6-7,17-21,39H,4-5,8-15,30H2,(H,34,43)(H,35,40)(H,36,45)(H,37,44)(H,41,42)(H,47,48)(H4,31,32,33)