(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxo-pentanoyl]amino]hexanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoyl]amino]hexanoylamino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-keto-pentanoyl]amino]hexanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C69H121N17O16 MolecularWeight: 1444.80334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)N

Isomeric SMILES

CCCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C69H121N17O16/c1-13-14-22-47(79-64(96)50(29-30-54(74)88)78-60(92)46(73)21-15-18-31-70)61(93)76-43(12)59(91)85-55(39(6)7)67(99)81-49(24-17-20-33-72)62(94)80-48(23-16-19-32-71)63(95)83-52(36-44-25-27-45(87)28-26-44)66(98)82-51(34-37(2)3)65(97)77-41(10)57(89)75-42(11)58(90)86-56(40(8)9)68(100)84-53(69(101)102)35-38(4)5/h25-28,37-43,46-53,55-56,87H,13-24,29-36,70-73H2,1-12H3,(H2,74,88)(H,75,89)(H,76,93)(H,77,97)(H,78,92)(H,79,96)(H,80,94)(H,81,99)(H,82,98)(H,83,95)(H,84,100)(H,85,91)(H,86,90)(H,101,102)/t41-,42-,43-,46-,47?,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1