CAS 90331-82-1 | H-PRO-THR-GLU-PHE-P-NITRO-PHE-ARG-LEU-OH | CAS Number 90331-82-1

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90331-82-1 | H-PRO-THR-GLU-PHE-P-NITRO-PHE-ARG-LEU-OH

CAS No: 90331-82-1 Catalog No: AG00GTUS MDL No:

Product Description

Catalog Number:

AG00GTUS

Chemical Name:

H-PRO-THR-GLU-PHE-P-NITRO-PHE-ARG-LEU-OH

CAS Number:

90331-82-1

Molecular Formula:

C44H63N11O13

Molecular Weight:

954.0369

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

InChI:

InChI=1S/C44H63N11O13/c1-24(2)21-34(43(65)66)53-38(60)30(12-8-20-48-44(45)46)49-40(62)33(23-27-13-15-28(16-14-27)55(67)68)52-41(63)32(22-26-9-5-4-6-10-26)51-39(61)31(17-18-35(57)58)50-42(64)36(25(3)56)54-37(59)29-11-7-19-47-29/h4-6,9-10,13-16,24-25,29-34,36,47,56H,7-8,11-12,17-23H2,1-3H3,(H,49,62)(H,50,64)(H,51,61)(H,52,63)(H,53,60)(H,54,59)(H,57,58)(H,65,66)(H4,45,46,48)/t25-,29+,30+,31+,32+,33+,34+,36+/m1/s1

InChI Key:

OHIZVORKJVKXKL-RLEGQPMYSA-N

SMILES:

CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1)CCC(=O)O)Cc1ccccc1)Cc1ccc(cc1)[N+](=O)[O-])CCCNC(=N)N)C