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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-phenylmethoxy-butanoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-phenylmethoxy-butanoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid
Openeye Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-benzyloxy-butanoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid
CAS Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-1-oxo-3-phenylmethoxybutyl]amino]-1-oxobutyl]-methylamino]-1-oxoethyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-methylamino]-4-methyl-1-oxopentyl]amino]propanoic acid
IUPAC Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylmethoxybutanoyl]amino]butanoyl]-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoic acid
Traditional Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-benzoxy-butanoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propionic acid
Formula:	C₆₄H₁₁₁N₁₁O₁₃
MolecularWeight:	1242.63204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(C(C)OCC1=CC=CC=C1)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)N

Isomeric SMILES

CC[C@@H](C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H]([C@@H](C)OCC1=CC=CC=C1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N

InChI

InChI=1S/C64H111N11O13/c1-24-46(59(81)69(17)34-51(76)70(18)47(30-36(2)3)56(78)68-52(40(10)11)62(84)71(19)48(31-37(4)5)55(77)66-43(15)64(86)87)67-57(79)54(44(16)88-35-45-28-26-25-27-29-45)75(23)63(85)53(41(12)13)74(22)61(83)50(33-39(8)9)73(21)60(82)49(32-38(6)7)72(20)58(80)42(14)65/h25-29,36-44,46-50,52-54H,24,30-35,65H2,1-23H3,(H,66,77)(H,67,79)(H,68,78)(H,86,87)/t42-,43+,44-,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1

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