(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]-3-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[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-hydroxy-1,5-dioxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3S)-1-[(2S)-2-(glycylamino)-3-phenyl-propanoyl]-3-hydroxy-prolyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]hexanoic acid Formula: C29H43N7O10 MolecularWeight: 649.69262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)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](CCCCN)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C29H43N7O10/c30-12-5-4-8-19(29(45)46)35-26(42)18(9-10-24(40)41)33-23(39)16-32-27(43)25-21(37)11-13-36(25)28(44)20(34-22(38)15-31)14-17-6-2-1-3-7-17/h1-3,6-7,18-21,25,37H,4-5,8-16,30-31H2,(H,32,43)(H,33,39)(H,34,38)(H,35,42)(H,40,41)(H,45,46)/t18-,19-,20-,21-,25-/m0/s1