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(4S)-4-acetamido-5-[[1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan

Systemtic Name:	(4S)-4-acetamido-5-[[1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan
Openeye Name:	(4S)-4-acetamido-5-[[2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-acetamido-5-[[1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]a
IUPAC Name:	(4S)-4-acetamido-5-[[1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]a
Traditional Name:	(4S)-4-acetamido-5-[[2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-keto-propyl]carbamoyl]pentyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-5-keto-valeric acid
Formula:	C₆₉H₁₂₁N₁₉O₂₀
MolecularWeight:	1536.81434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CC(=O)O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CCC(=O)O)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C69H121N19O20/c1-10-37(5)54(56(73)97)86-66(107)55(38(6)11-2)87-64(105)49(35-53(95)96)84-62(103)47(33-40-20-13-12-14-21-40)82-61(102)46(32-36(3)4)81-58(99)41(22-15-17-29-70)78-57(98)43(24-19-31-76-68(74)75)80-63(104)48(34-50(72)90)83-59(100)42(23-16-18-30-71)79-60(101)44(25-27-51(91)92)85-67(108)69(8,9)88-65(106)45(77-39(7)89)26-28-52(93)94/h36-38,40-49,54-55H,10-35,70-71H2,1-9H3,(H2,72,90)(H2,73,97)(H,77,89)(H,78,98)(H,79,101)(H,80,104)(H,81,99)(H,82,102)(H,83,100)(H,84,103)(H,85,108)(H,86,107)(H,87,105)(H,88,106)(H,91,92)(H,93,94)(H,95,96)(H4,74,75,76)/t37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1

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