(2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C38H52N12O10 MolecularWeight: 836.89388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CN=CN4)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C38H52N12O10/c1-20(2)10-26(34(55)43-17-32(53)46-27(14-31(40)52)35(56)49-29(38(59)60)13-23-16-42-19-45-23)47-36(57)30-4-3-9-50(30)37(58)28(11-21-5-7-24(51)8-6-21)48-33(54)25(39)12-22-15-41-18-44-22/h5-8,15-16,18-20,25-30,51H,3-4,9-14,17,39H2,1-2H3,(H2,40,52)(H,41,44)(H,42,45)(H,43,55)(H,46,53)(H,47,57)(H,48,54)(H,49,56)(H,59,60)/t25-,26-,27-,28-,29-,30-/m0/s1