alpha-Casein (90-96)

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid

Also Known As: alpha-Casein exorphine|alpha-Casein (90-96)|alpha-Casein(90-96)||A-Casein (90-96)|a-Casein (90-96)|Arg-Tyr-Leu-Gly-Tyr-Leu-Glu|HY-P10187|(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-5-CARBAMIMIDAMIDOPENTANAMIDO]-3-(4-HYDROXYPHENYL)PROPANAMIDO]-4-METHYLPENTANAMIDO]ACETAMIDO}-3-(4-HYDROXYPHENYL)PROPANAMIDO]-4-METHYLPENTANAMIDO]PENTANEDIOIC ACID

Molecular Formula	C43H64N10O12
Molecular Weight	912.4705 g/mol
LogP	-1.1543
Topological Polar Surface Area	380.08 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	12
Rotatable Bonds	28
Exact Mass	912.4705
Monoisotopic Mass	912.4705
Heavy Atoms	65
Complexity	1956.7756

Chemical Identifiers

CAS Number	83471-49-2
SMILES	CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)N