2-[[2-[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[2-[[1-(2-azanyl-3-oxidanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[[1-(2-amino-3-hydroxy-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[[1-(2-amino-3-hydroxy-propanoyl)prolyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-valeric acid Formula: C25H38N8O7 MolecularWeight: 562.61862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N8O7/c26-16(14-34)23(38)33-11-5-9-19(33)22(37)30-13-20(35)31-18(12-15-6-2-1-3-7-15)21(36)32-17(24(39)40)8-4-10-29-25(27)28/h1-3,6-7,16-19,34H,4-5,8-14,26H2,(H,30,37)(H,31,35)(H,32,36)(H,39,40)(H4,27,28,29)