calcium (2R)-2-azanyl-5-[[(2R)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: calcium (2R)-2-azanyl-5-[[(2R)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: calcium (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: calcium (2R)-2-amino-5-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: calcium (2R)-2-amino-5-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: calcium (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C32H38CaN6O10+2 MolecularWeight: 706.75632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N.[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N.[Ca+2]

InChI

InChI=1S/2C16H19N3O5.Ca/c2*17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;/h2*1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24);/q;;+2/t2*11-,13-;/m11./s1