(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-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-propanoyl]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)-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-propanoyl]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)-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-propanoyl]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)-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-phenylmethoxypropyl]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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylmethoxypropanoyl]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)-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-propanoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C63H109N11O13 MolecularWeight: 1228.60546

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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(COCC1=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](COCC1=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/C63H109N11O13/c1-23-45(58(80)68(16)33-51(75)69(17)46(29-36(2)3)55(77)67-52(40(10)11)61(83)70(18)47(30-37(4)5)54(76)65-43(15)63(85)86)66-56(78)50(35-87-34-44-27-25-24-26-28-44)73(21)62(84)53(41(12)13)74(22)60(82)49(32-39(8)9)72(20)59(81)48(31-38(6)7)71(19)57(79)42(14)64/h24-28,36-43,45-50,52-53H,23,29-35,64H2,1-22H3,(H,65,76)(H,66,78)(H,67,77)(H,85,86)/t42-,43+,45+,46+,47+,48+,49+,50+,52+,53+/m1/s1