(4S)-4-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]-3-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[2-[[[(2S,3S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]-3-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-3-amino-1-carboxy-3-keto-propyl]amino]-4-[[2-[[(2S,3S)-1-[(2S)-2-(glycylamino)-3-phenyl-propanoyl]-3-hydroxy-prolyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C27H37N7O11 MolecularWeight: 635.62298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)C(CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

C1CN([C@@H]([C@H]1O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C27H37N7O11/c28-12-20(37)32-16(10-14-4-2-1-3-5-14)26(43)34-9-8-18(35)23(34)25(42)30-13-21(38)31-15(6-7-22(39)40)24(41)33-17(27(44)45)11-19(29)36/h1-5,15-18,23,35H,6-13,28H2,(H2,29,36)(H,30,42)(H,31,38)(H,32,37)(H,33,41)(H,39,40)(H,44,45)/t15-,16-,17-,18-,23-/m0/s1