CAS 130517-75-8 | L-Proline, 1-[N-[N-[N-[N-[N-[N-[N-[N-(N-acetyl-L-tryptophyl)-L-isoleucyl]-L-alanyl]-2-methylalanyl]-L-isoleucyl]-L-valyl]-2-methylalanyl]-L-leucyl]-2-methylalanyl]-, methyl ester (9CI) | CAS Number 130517-75-8

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130517-75-8 | L-Proline, 1-[N-[N-[N-[N-[N-[N-[N-[N-(N-acetyl-L-tryptophyl)-L-isoleucyl]-L-alanyl]-2-methylalanyl]-L-isoleucyl]-L-valyl]-2-methylalanyl]-L-leucyl]-2-methylalanyl]-, methyl ester (9CI)

CAS No: 130517-75-8 Catalog No: AG000UJR MDL No:

Product Description

Catalog Number:

AG000UJR

Chemical Name:

L-Proline, 1-[N-[N-[N-[N-[N-[N-[N-[N-(N-acetyl-L-tryptophyl)-L-isoleucyl]-L-alanyl]-2-methylalanyl]-L-isoleucyl]-L-valyl]-2-methylalanyl]-L-leucyl]-2-methylalanyl]-, methyl ester (9CI)

CAS Number:

130517-75-8

Molecular Formula:

C57H91N11O12

Molecular Weight:

1122.3989

IUPAC Name:

methyl (2S)-3-[(2S,4S)-4-[[(2R,4S)-4-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-2-[amino(2-methylpropanoyl)amino]-2-[(2S)-butan-2-yl]-3-oxopentanoyl]amino]-2-[amino(2-methylpropanoyl)amino]-5-methyl-2-(2-methylpropyl)-3-oxohexanoyl]-2-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate

InChI:

InChI=1S/C57H91N11O12/c1-18-34(13)44(64-48(73)42(63-37(16)69)26-38-28-61-41-23-21-20-22-39(38)41)49(74)62-36(15)45(70)56(35(14)19-2,68(60)52(77)33(11)12)53(78)65-43(30(5)6)47(72)55(27-29(3)4,67(59)51(76)32(9)10)46(71)40-24-25-66(50(75)31(7)8)57(40,58)54(79)80-17/h20-23,28-36,40,42-44,61H,18-19,24-27,58-60H2,1-17H3,(H,62,74)(H,63,69)(H,64,73)(H,65,78)/t34-,35-,36-,40?,42-,43-,44-,55-,56+,57-/m0/s1

InChI Key:

BFJRZDRUSJDLFD-HGRSDCKASA-N

SMILES:

CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N1CCC[C@H]1C(=O)OC)(C)C)CC(C)C)(C)C)C(C)C)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C)C)(C)C)C