Chemical Compound

h-glu(edans)-val-tyr-leu-lys-ala-ser-gln-phe-pro-ala-gly-ile-lys(dabcyl)-gly-oh

CAS Registry Number 400746-50-1

Primary Record

Compound Identifiers & Properties

CAS: 400746-50-1
PubChem CID: 165429836
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NCCNC6=CC=CC7=C6C=CC=C7S(=O)(=O)O
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(C)C)C(=O)N[C@@H](CCCCNC(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)NCC(=O)O

h-glu(edans)-val-tyr-leu-lys-ala-ser-gln-phe-pro-ala-gly-ile-lys(dabcyl)-gly-oh
400746-50-1
2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]hexanoyl]amino]acetic acid