CAS 115150-59-9 | L-Methioninamide, L-arginyl-D-tryptophyl-N-methyl-L-phenylalanyl-D-tryptophyl-L-leucyl- | CAS Number 115150-59-9

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115150-59-9 | L-Methioninamide, L-arginyl-D-tryptophyl-N-methyl-L-phenylalanyl-D-tryptophyl-L-leucyl-

CAS No: 115150-59-9 Catalog No: AG000GC2 MDL No:

Product Description

Catalog Number:

AG000GC2

Chemical Name:

L-Methioninamide, L-arginyl-D-tryptophyl-N-methyl-L-phenylalanyl-D-tryptophyl-L-leucyl-

CAS Number:

115150-59-9

Molecular Formula:

C49H66N12O6S

Molecular Weight:

951.1901

IUPAC Name:

(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide

InChI:

InChI=1S/C49H66N12O6S/c1-29(2)23-39(45(64)57-38(43(51)62)20-22-68-4)58-46(65)40(25-31-27-55-36-18-10-8-15-33(31)36)59-47(66)42(24-30-13-6-5-7-14-30)61(3)48(67)41(26-32-28-56-37-19-11-9-16-34(32)37)60-44(63)35(50)17-12-21-54-49(52)53/h5-11,13-16,18-19,27-29,35,38-42,55-56H,12,17,20-26,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,65)(H,59,66)(H,60,63)(H4,52,53,54)/t35-,38-,39-,40+,41+,42-/m0/s1

InChI Key:

CUCSSYAUKKIDJV-FAXBSAIASA-N

SMILES:

CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N(C(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCNC(=N)N)N)C)Cc1ccccc1)CC(C)C

Properties

Complexity:

1700

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

950.495g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

951.205g/mol

Monoisotopic Mass:

950.495g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

327A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Antagonist G-mediated targeting and cytotoxicity of liposomal doxorubicin in NCI-H82 variant small cell lung cancer.	Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas 20040801
A growth factor antagonist as a targeting agent for sterically stabilized liposomes in human small cell lung cancer.	Biochimica et biophysica acta 20011001
Forearm blood flow and local responses to peptide vasodilators: a novel pharmacodynamic measure in the phase I trial of antagonist G, a neuropeptide growth factor antagonist.	Clinical cancer research : an official journal of the American Association for Cancer Research 20011001