0MV

(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Created:	2012-03-07
Last modified:	2012-03-07

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1 entries where 0MV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	16

2D diagram of 0MV

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Chemical Component Summary
Name	(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Formula	C₁₈ H₁₅ N₃ O₂
Molecular Weight	305.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c1c(cccc1)NC(=O)C(N2)Cc4c3ccccc3nc4
SMILES	CACTVS	3.370	O=C1Nc2ccccc2C(=O)N[CH]1Cc3c[nH]c4ccccc34
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4ccccc4C(=O)N3
Canonical SMILES	CACTVS	3.370	O=C1Nc2ccccc2C(=O)N[C@H]1Cc3c[nH]c4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3
InChI	InChI	1.03	InChI=1S/C18H15N3O2/c22-17-13-6-2-4-8-15(13)20-18(23)16(21-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKey	InChI	1.03	AQDZAHJUWYRHGM-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	10017963
ChEMBL	CHEMBL479914

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