CAS 100642-98-6 | L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-, phenylmethyl ester (9CI) | CAS Number 100642-98-6

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100642-98-6 | L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-, phenylmethyl ester (9CI)

CAS No: 100642-98-6 Catalog No: AG0002J7 MDL No:

Product Description

Catalog Number:

AG0002J7

Chemical Name:

L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-L-leucyl-L-leucyl-L-leucyl-2-methylalanyl-L-leucyl-L-leucyl-L-leucyl-, phenylmethyl ester (9CI)

CAS Number:

100642-98-6

Molecular Formula:

C64H111N9O12

Molecular Weight:

1198.6192

IUPAC Name:

benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,4S)-2-[amino(2-methylpropanoyl)amino]-6-methyl-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-2-(2-methylpropyl)-3-oxoheptanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate

InChI:

InChI=1S/C64H111N9O12/c1-36(2)27-46(66-54(75)47(28-37(3)4)67-55(76)48(29-38(5)6)69-58(79)51(32-41(11)12)72-62(83)85-63(19,20)21)53(74)64(34-43(15)16,73(65)59(80)44(17)18)61(82)71-50(31-40(9)10)57(78)68-49(30-39(7)8)56(77)70-52(33-42(13)14)60(81)84-35-45-25-23-22-24-26-45/h22-26,36-44,46-52H,27-35,65H2,1-21H3,(H,66,75)(H,67,76)(H,68,78)(H,69,79)(H,70,77)(H,71,82)(H,72,83)/t46-,47-,48-,49-,50-,51-,52-,64+/m0/s1

InChI Key:

IBBUGBQZHOYWET-JRVXEHFLSA-N

SMILES:

CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)(C)C)C