EC-0652
(2S)-2-[[(1S)-4-[[8-[[(2S)-1-[[(2S)-1-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-8-oxooctyl]amino]-1-carboxy-4-oxobutyl]carbamoylamino]pentanedioic acid
Molecular Identity
EC-0652
(2S)-2-[[(1S)-4-[[8-[[(2S)-1-[[(2S)-1-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-8-oxooctyl]amino]-1-carboxy-4-oxobutyl]carbamoylamino]pentanedioic acid
PubChem CID: 90175701
2D Structure
Properties
C47H65N9O17S
Molecular Formula
1060.10
Molecular Weight
g/mol
1059.4219
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
429
TPSA
May have limited oral absorption
15
H-Bond Donors
19
H-Bond Acceptors
1920
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O)N)NC(=O)CCCCCCCNC(=O)CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)N)NC(=O)CCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)OSynonyms(19)
EC-0652PC01SK28UNII-RWY5U5KZV3L-Cysteine, N-((((1S)-1,3-dicarboxypropyl)amino)carbonyl)-L-gamma-glutamyl-8-aminooctanoyl-L-phenylalanyl-L-phenylalanyl-(2S)-2-amino-beta-alanyl-L-alpha-aspartyl-L-CYSTEINE, N-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-L-.GAMMA.-GLUTAMYL-8-AMINOOCTANOYL-L-PHENYLALANYL-L-PHENYLALANYL-(2S)-2-AMINO-.BETA.-ALANYL-L-.ALPHA.-ASPARTYL-(2S)-2-(((1S)-4-((8-(((2S)-1-(((2S)-1-(((2S)-2-amino-3-(((2S)-3-carboxy-1-(((1R)-1-carboxy-2-sulfanylethyl)amino)-1-oxopropan-2-yl)amino)-3-oxopropyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-8-oxooctyl)amino)-1-carboxy-4-oxobutyl)carbamoylamino)pentanedioic acid(2S)-2-[[(1S)-4-[[8-[[(2S)-1-[[(2S)-1-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-8-oxooctyl]amino]-1-carboxy-4-oxobutyl]carbamoylamino]pentanedioic acidDUPA-99mTcRadiodiagnostic EC0652RefChem:13619399mTc-EC0652DUPA-99mTc EC0652PSMA-targeting Agent-Technetium Tc99m EC0652RWY5U5KZV3EC0652
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to EC-0652
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