2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-azanylpropanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]-14,16-bis(oxidanyl)-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-azanylpropanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]-14,16-bis(oxidanyl)-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-aminopropanoyl]-3-hydroxy-pyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carbonyl]amino]acetic acid CAS Name: 2-[[[(5R,8S)-8-[[[(2S,3R)-1-[(2S)-2-amino-1-oxopropyl]-3-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-14,16-dihydroxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-aminopropanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carbonyl]amino]acetic acid Traditional Name: 2-[[(5R,8S)-8-[[(2S,3R)-1-[(2S)-2-aminopropanoyl]-3-hydroxy-prolyl]amino]-14,16-dihydroxy-7,11-diketo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carbonyl]amino]acetic acid Formula: C24H31N5O11S MolecularWeight: 597.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C1C(=O)NC2COC(=O)C3=CC(=CC(=C3CSCC(NC2=O)C(=O)NCC(=O)O)O)O)O)N

Isomeric SMILES

C[C@@H](C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]2COC(=O)C3=CC(=CC(=C3CSC[C@H](NC2=O)C(=O)NCC(=O)O)O)O)O)N

InChI

InChI=1S/C24H31N5O11S/c1-10(25)23(38)29-3-2-16(31)19(29)22(37)27-14-7-40-24(39)12-4-11(30)5-17(32)13(12)8-41-9-15(28-21(14)36)20(35)26-6-18(33)34/h4-5,10,14-16,19,30-32H,2-3,6-9,25H2,1H3,(H,26,35)(H,27,37)(H,28,36)(H,33,34)/t10-,14-,15-,16+,19-/m0/s1